(5S,7E)-8-iodanyl-7-methyl-5-oxidanyl-octa-1,7-dien-3-one

Systemtic Name: (5S,7E)-8-iodanyl-7-methyl-5-oxidanyl-octa-1,7-dien-3-one Openeye Name: (5S,7E)-5-hydroxy-8-iodo-7-methyl-octa-1,7-dien-3-one CAS Name: (5S,7E)-5-hydroxy-8-iodo-7-methyl-3-octa-1,7-dienone IUPAC Name: (5S,7E)-5-hydroxy-8-iodo-7-methylocta-1,7-dien-3-one Traditional Name: (5S,7E)-5-hydroxy-8-iodo-7-methyl-octa-1,7-dien-3-one Formula: C9H13IO2 MolecularWeight: 280.10279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CI)CC(CC(=O)C=C)O

Isomeric SMILES

C/C(=C\I)/C[C@@H](CC(=O)C=C)O

InChI

InChI=1S/C9H13IO2/c1-3-8(11)5-9(12)4-7(2)6-10/h3,6,9,12H,1,4-5H2,2H3/b7-6+/t9-/m0/s1